8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-1,3-dimethyl-7-[2-(p-tolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-1,3-dimethyl-7-[2-[(4-methylphenyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-1,3-dimethyl-7-[2-(p-tolylthio)ethyl]xanthine Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C23H31N5O2S/c1-15-6-8-18(9-7-15)31-11-10-28-19-20(25(4)23(30)26(5)21(19)29)24-22(28)27-13-16(2)12-17(3)14-27/h6-9,16-17H,10-14H2,1-5H3